ISTART = 0
ICHARG = 11
# POTIM   = 0.2

# ionic relaxation
# NSW     = 200       # number of ionic steps
# IBRION  = 2         # 2=conjucate gradient, 1=Newton like
# ISIF    = 2         # 3=relax everything, 2=relax ions only, 4=keep volume fixed
# ADDGRID = T
ISPIN   = 1
# MAGMOM  = 2.5

# precision parameters
PREC    = Accurate  # precision low, med, high, accurate
EDIFF   =  1E-6     # 1E-3 very low precision for pre-relaxation, use 1E-5 next
# EDIFFG  = -5E-4     # usually: 10 * EDIFF
# NELMIN  = 8

# electronic relaxation
ALGO    = Fast
ENCUT   =  250     # cutoff energy
ISMEAR  =  0       # -5 = tetraedon, 1..N = Methfessel
#SIGMA   =  0.05

# output options
LWAVE   = .FALSE.  # write or don't write WAVECAR
LCHARG  = .FALSE.  # write or don't write CHG and CHGCAR
